4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid

C15H26N2O4 — CID 114430577

IUPAC4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCCC(C)(O)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-11-5-8-17(12(9-11)13(18)19)14(20)16-7-4-6-15(2,21)10-16/h11-12,21H,3-10H2,1-2H3,(H,18,19)
InChIKeyHLAZOLDQIHUINB-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.53
Rot. Bonds2

About 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid

4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114430577) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
PubChem CID114430577
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)N2CCCC(C)(O)C2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-11-5-8-17(12(9-11)13(18)19)14(20)16-7-4-6-15(2,21)10-16/h11-12,21H,3-10H2,1-2H3,(H,18,19)
InChIKeyHLAZOLDQIHUINB-UHFFFAOYSA-N
XLogP1.53
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 107175943
4-ethyl-1-(3-methoxypiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 102963044
1-(2,6-dimethylthiomorpholine-4-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430408
4-ethyl-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid
CID 114679618
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350
1-(3-methoxy-3-methylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 107394008
1-[1-(aminomethyl)cyclopropanecarbonyl]-4-ethylpiperidine-2-carboxylic acid
CID 114429694
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426976
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 114430456

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid (CID 114430577) is 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid is CCC1CCN(C(=O)N2CCCC(C)(O)C2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is HLAZOLDQIHUINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-11-5-8-17(12(9-11)13(18)19)14(20)16-7-4-6-15(2,21)10-16/h11-12,21H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid?
4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114430577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).